SCHEMBL3048669

SCHEMBL3048669

CC(C)(C)OC(=O)n1c(-c2ccc(-c3cccs3)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTK P29376 1/20 0.36
CDK5 Q00535 1/20 0.36
MST1R Q04912 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
NR1H2 P55055 13/20 0.36
NR1H3 Q13133 4/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
KDR P35968 1/20 0.33
LMNA P02545 1/20 0.33
PARP1 P09874 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3046959 0.89 NR1H2 (0.41) NR1H2NR1H3BRD4CREBBP
SCHEMBL3049701 0.89 NR1H2 (0.37) NR1H2NR1H3BRD4CREBBPPARP1
SCHEMBL3039052 0.88 NR1H2 (0.37) NR1H2NR1H3BRD4CREBBPKDR
SCHEMBL3044637 0.87 NR1H2 (0.39) NR1H2NR1H3
SCHEMBL3039181 0.87 NR1H2 (0.36) NR1H2NR1H3BRD4CREBBPKDR
SCHEMBL3048979 0.87 NR1H2 (0.36) NR1H2NR1H3BRD4CREBBPPARP1
SCHEMBL3047413 0.87 NR1H2 (0.36) NR1H2NR1H3BRD4CREBBP
SCHEMBL3048520 0.87 NR1H2 (0.38) NR1H2NR1H3BRD4CREBBPPARP1
SCHEMBL3839308 0.87 NR1H2 (0.39) NR1H2NR1H3PARP1
SCHEMBL3044421 0.87 NR1H2 (0.39) NR1H2NR1H3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 LTK 3960/4885CDK5 760/4885MST1R 790/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.